COMPLEXATION WITH DIOL HOST COMPOUNDS .4. 1-1 MOLECULAR-COMPLEXES OF 1,1-BIS(4-HYDROXYPHENYL)CYCLOHEXANE WITH WATER AND ETHANOL

Compound (1), 1,1-bis(4-hydroxyphenyl)-cyclohexane-water (1/1), C18H20O2.H2O, M(r) = 286.37, monoclinic, P2(1), a = 10.779 (3), b = 6.499 (5), c = 10.962 (2) angstrom, beta = 97.54 (2)-degrees, V = 761.3 (6) angstrom 3, Z = 2, D(x) = 1.25 g cm-3, lambda-(Mo K-alpha) = 0.71069 angstrom, mu = 0.78 cm-1, F(000) = 308, T = 294 K, R = 0.036 for 1354 reflections. Compound (2), 1,1-bis(4-hydroxyphenyl)cyclohexane-ethanol (1/1), C18H20O2.C2H6O, M(r) = 314.43, triclinic, P1BAR, a = 6.292 (1), b = 10.864 (3), c = 13.425 (3) angstrom, alpha = 84.76 (3), beta = 77.95 (2), gamma = 78.95 (2)-degrees, V = 879.6 (4) angstrom 3, Z = 2, D(x) = 1.19 g cm-3, lambda-(Mo K-alpha) = 0.71069 angstrom, mu = 0.73 cm-1, F(000) = 340, T = 294 K, R = 0.049 for 2729 reflections. The cyclohexane ring of the host molecule is an almost perfect chair in both compounds with a mean absolute torsion angle of 55.70 (7)-degrees in (1) and 55.90 (7)-degrees in (2). The host-guest intermolecular associations in both structures are characterized by an efficient triangular donor-acceptor hydrogen-bonding arrangement with O...O distances ranging from 2.588 (3)-2.774 (3) angstrom.